SCHEMBL6922348

SCHEMBL6922348

CN(C)Cc1nc2cc(Br)ccc2c(=O)n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
ACKR3 P25106 3/20 0.41
HDAC6 Q9UBN7 3/20 0.40
HDAC8 Q9BY41 2/20 0.40
NPC1 O15118 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12040171 0.86 HDAC6 (0.44) ALDH1A1USP2HDAC6HDAC8NPC1
SCHEMBL1500234 0.84 ALDH1A1 (0.47) ALDH1A1USP2HDAC6HDAC8NPC1
SCHEMBL2045483 0.83 ALDH1A1 (0.46) ALDH1A1USP2SMN1; SMN2HDAC6HDAC8
SCHEMBL6923289 0.81 PARG (0.47) ALDH1A1USP2HDAC6HDAC8NPC1
SCHEMBL6921127 0.81 USP2 (0.45) ALDH1A1USP2HDAC6HDAC8NPC1
SCHEMBL6921859 0.78 HDAC6 (0.46) ALDH1A1USP2HDAC6HDAC8HDAC3
SCHEMBL6920977 0.78 HDAC6 (0.44) ALDH1A1USP2HDAC6HDAC8NPC1
SCHEMBL2044138 0.77 HDAC6 (0.46) ALDH1A1USP2SMN1; SMN2HDAC6NPC1
SCHEMBL12059534 0.76 PIM1 (0.44) ALDH1A1USP2SMN1; SMN2ACKR3HDAC6
SCHEMBL1161500 0.76 CASP3 (0.43) ALDH1A1USP2SMN1; SMN2HDAC6HDAC8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 ALDH1A1 1721/4885USP2 2061/4885SMN1; SMN2 636/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 ALDH1A1 1721/4885USP2 2061/4885SMN1; SMN2 636/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.